4-ethyl-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclohexan-1-one

C15H25N3O — CID 62612233

IUPAC4-ethyl-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclohexan-1-one
SMILESCCC1CCC(=O)C(CN(C)Cc2cnn(C)c2)C1
InChIInChI=1S/C15H25N3O/c1-4-12-5-6-15(19)14(7-12)11-17(2)9-13-8-16-18(3)10-13/h8,10,12,14H,4-7,9,11H2,1-3H3
InChIKeyOCCXUKSBOAFPAP-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.25
Rot. Bonds5

About 4-ethyl-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclohexan-1-one

4-ethyl-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclohexan-1-one (PubChem CID 62612233) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-ethyl-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclohexan-1-one.

Molecular Properties

Compound Name4-ethyl-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclohexan-1-one
PubChem CID62612233
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name4-ethyl-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclohexan-1-one
SMILESCCC1CCC(=O)C(CN(C)Cc2cnn(C)c2)C1
InChIInChI=1S/C15H25N3O/c1-4-12-5-6-15(19)14(7-12)11-17(2)9-13-8-16-18(3)10-13/h8,10,12,14H,4-7,9,11H2,1-3H3
InChIKeyOCCXUKSBOAFPAP-UHFFFAOYSA-N
XLogP2.25
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclohexan-1-amine
CID 55094427
4-ethyl-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclohexan-1-ol
CID 62610810
4-ethyl-2-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]cyclohexan-1-one
CID 63236972
4-ethyl-2-[[methyl(thiophen-2-ylmethyl)amino]methyl]cyclohexan-1-one
CID 62612203
4-ethyl-2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]cyclohexane-1,2-diamine
CID 61438178
2-[[furan-3-ylmethyl(methyl)amino]methyl]-4-propylcyclohexan-1-one
CID 62612064
4-ethyl-2-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]cyclohexan-1-one
CID 79312395
4-ethyl-2-[[methyl(3-methylbutan-2-yl)amino]methyl]cyclohexan-1-one
CID 62612035
2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclohexan-1-amine
CID 62617070
N-methyl-1-(4-methylpiperidin-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 114421337
1-(4-methoxypyrrolidin-2-yl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 61439616
4,4-dimethyl-1-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]pentan-3-ol
CID 62625333

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclohexan-1-one?
The IUPAC name of 4-ethyl-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclohexan-1-one (CID 62612233) is 4-ethyl-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclohexan-1-one.
What is the SMILES notation for 4-ethyl-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclohexan-1-one?
The canonical SMILES for 4-ethyl-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclohexan-1-one is CCC1CCC(=O)C(CN(C)Cc2cnn(C)c2)C1.
What is the InChIKey of 4-ethyl-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclohexan-1-one?
The InChIKey is OCCXUKSBOAFPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-4-12-5-6-15(19)14(7-12)11-17(2)9-13-8-16-18(3)10-13/h8,10,12,14H,4-7,9,11H2,1-3H3.
What are the key properties of 4-ethyl-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclohexan-1-one?
4-ethyl-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclohexan-1-one has a molecular weight of 263.38 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclohexan-1-one is sourced from PubChem (CID 62612233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).